Geometry & MOs

Info

ID:

436869

PubChem CID:

135212430

Reduced:

N3H27C46 (1)

Stoich.:

A3B27C46 (1)

Weight, g/mol:

697.251798

ΔHf, kcal/mol:

246.63

Dipole, Da:

4.62

IP(EA), eV:

 -8.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N4C2=NC5=C4N(C6=CC=CC=C65)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations